Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.925 CA :: 58.844 CB :: 64.140 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.279 HA :: 4.495 HB3 :: 3.925 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.681 Ave N Shift Values>> N :: 116.3(3.95) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.825 CB :: 64.048 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.302 HA :: 4.500 HB3 :: 3.905 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.758 Ave N Shift Values>> N :: 116.3(3.95) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.3 R 0.09 G 0.02 C Shift Assignments>> C :: 177.182 CA :: 55.969 CB :: 42.504 CG :: 27.026 CD1 :: 25.035 CD2 :: 23.704 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.373 HA :: 4.331 HB3 :: 1.631 HG :: 1.483 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.763 Ave N Shift Values>> N :: 121.98(4.07) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.23 C 0.15 Y 0.09 F 0.09 L 0.06 C Shift Assignments>> C :: 175.010 CA :: 53.794 CB :: 39.320 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.374 HA :: 4.710 HB2 :: 2.758 HB3 :: 2.854 HD21 :: 6.931 HD22 :: 7.617 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.924 ND2 :: 113.064 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.38 M 0.13 I 0.04 K 0.03 Q 0.01 C Shift Assignments>> C :: 175.945 CA :: 56.676 CB :: 30.959 CG :: 36.675 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.271 HA :: 4.321 HB2 :: 2.073 HB3 :: 1.903 HG2 :: 2.243 HG3 :: 2.101 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.989 Ave N Shift Values>> N :: 120.68(3.68) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.15 C 0.11 K 0.09 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 175.949 CA :: 52.961 CB :: 41.280 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.362 HA :: 4.900 HB2 :: 2.546 HB3 :: 2.744 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.716 Ave N Shift Values>> N :: 120.73(4.2) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.495 CA :: 63.834 CB :: 32.507 CG :: 27.570 CD :: 50.914 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.461 HB2 :: 2.325 HB3 :: 1.997 HG3 :: 2.050 HD2 :: 3.823 HD3 :: 3.868 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.09 I 0.07 K 0.05 Q 0.01 HN Overlap>> 1.I135 1.I135 C Shift Assignments>> C :: 177.338 CA :: 57.036 CB :: 30.443 CG :: 36.732 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.519 HA :: 4.353 HB2 :: 1.980 HB3 :: 2.129 HG3 :: 2.332 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.405 Ave N Shift Values>> N :: 120.68(3.68) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.051 CA :: 45.668 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.277 HA2 :: 4.073 HA3 :: 3.998 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.695 Ave N Shift Values>> N :: 109.91(4.29) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.905 CA :: 58.747 CB :: 64.406 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.232 HA :: 4.628 HB2 :: 3.918 HB3 :: 4.001 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.573 Ave N Shift Values>> N :: 116.3(3.95) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 K 0.15 G 0.02 L 0.01 C Shift Assignments>> C :: 176.161 CA :: 57.056 CB :: 30.553 CG :: 26.693 CD :: 42.747 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.385 HA :: 4.336 HB2 :: 1.910 HB3 :: 1.988 HG2 :: 1.739 HG3 :: 1.608 HD2 :: 3.165 HD3 :: 3.425 HE :: 7.549 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.530 NE :: 84.399 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 176.239 CA :: 61.692 CB :: 40.290 CG1 :: 28.336 CG2 :: 17.850 CD1 :: 14.475 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.241 HA :: 4.365 HB :: 1.554 HG12 :: 0.576 HG13 :: 1.532 HG21 :: 0.199 HG22 :: 0.199 HG23 :: 0.199 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.601 Ave N Shift Values>> N :: 121.6(4.72) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.103 CA :: 62.058 CB :: 70.627 CG2 :: 21.593 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.493 HA :: 4.390 HB :: 3.952 HG21 :: 1.132 HG22 :: 1.132 HG23 :: 1.132 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.551 Ave N Shift Values>> N :: 115.7(5.05) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 176.142 CA :: 58.265 CB :: 39.925 CD1 :: 133.862 CE1 :: 117.390 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.754 HA :: 5.112 HB2 :: 2.684 HB3 :: 2.918 HD1 :: 7.131 HD2 :: 7.131 HE1 :: 6.843 HE2 :: 6.843 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.750 Ave N Shift Values>> N :: 120.79(4.69) 1.V16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 174.268 CA :: 61.249 CB :: 35.494 CG1 :: 22.047 CG2 :: 22.154 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.621 HA :: 4.052 HB :: 0.748(S) HG11 :: 0.658 HG12 :: 0.658 HG13 :: 0.658 HG21 :: 0.401 HG22 :: 0.401 HG23 :: 0.401 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.501 Ave N Shift Values>> N :: 121.02(4.96) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.32 R 0.21 M 0.04 G 0.01 C Shift Assignments>> C :: 176.046 CA :: 54.822 CB :: 32.559 CG :: 25.034 CD :: 29.585 CE :: 42.473 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.333 HA :: 5.021 HB2 :: 1.845 HB3 :: 1.634 HG2 :: 1.421 HG3 :: 1.295 HD3 :: 1.693 HE3 :: 2.959 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.903 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 170.016 CA :: 45.010 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.905 HA2 :: 3.866 HA3 :: 4.329 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.781 Ave N Shift Values>> N :: 109.91(4.29) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.23 K 0.13 R 0.11 C 0.1 N 0.05 F 0.05 Y 0.03 G 0.01 C Shift Assignments>> C :: 178.023 CA :: 53.674 CB :: 42.214 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.716 HA :: 4.587 HB2 :: 2.687 HB3 :: 2.640 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.211 Ave N Shift Values>> N :: 120.73(4.2) 1.L20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 R 0.24 G 0.22 L 0.18 C Shift Assignments>> C :: 176.473 CA :: 57.810 CB :: 44.188 CG :: 26.565 CD1 :: 27.948 CD2 :: 24.807 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 10.437(S) HA :: 2.951 HB2 :: 0.952 HB3 :: 0.863 HG :: 0.491 HD11 :: 0.291 HD12 :: 0.291 HD13 :: 0.291 HD21 :: 0.425 HD22 :: 0.425 HD23 :: 0.425 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.930 Ave N Shift Values>> N :: 121.98(4.07) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 Y 0.34 C 0.29 C Shift Assignments>> C :: 175.891 CA :: 60.739 CB :: 37.052 CD1 :: 131.329 CE1 :: 131.014 CZ :: 129.057 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.065 HA :: 3.912 HB2 :: 3.131 HB3 :: 2.832 HD1 :: 7.287 HD2 :: 7.287 HE1 :: 6.509 HE2 :: 6.509 HZ :: 5.756 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 109.740 Ave N Shift Values>> N :: 120.69(4.18) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C 0.01 C Shift Assignments>> C :: 177.224 CA :: 51.659 CB :: 18.793 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.781 HA :: 4.549 HB1 :: 1.515 HB2 :: 1.515 HB3 :: 1.515 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.497 Ave N Shift Values>> N :: 123.23(3.7) 1.C23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 K 0.19 L 0.17 C 0.13 Q 0.07 I 0.06 H 0.04 W 0.04 E 0.02 HN Overlap>> 1.E56 1.E56 C Shift Assignments>> C :: 171.079 CA :: 57.298 CB :: 26.006 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.542 HA :: 4.616 HB2 :: 3.467 HB3 :: 2.510 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.699 Ave N Shift Values>> N :: 119.95(4.79) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.43 V 0.42 C 0.06 I 0.05 W 0.01 C Shift Assignments>> C :: 178.848 CA :: 64.270 CB :: 32.134 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.409 HB2 :: 2.348 HB3 :: 1.863 HG3 :: 2.160 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.35 R 0.24 M 0.02 G 0.01 C Shift Assignments>> C :: 175.733 CA :: 58.697 CB :: 32.388 CG :: 25.470 CD :: 29.653 CE :: 42.257 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.763 HA :: 4.156 HB3 :: 1.945 HG2 :: 1.632 HG3 :: 1.546 HD3 :: 1.772 HE3 :: 3.054 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.054 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 176.250 CA :: 61.416 CB :: 69.010 CG2 :: 22.298 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.083 HA :: 4.173 HB :: 4.539 HG21 :: 1.239 HG22 :: 1.239 HG23 :: 1.239 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 102.818 Ave N Shift Values>> N :: 115.7(5.05) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.15 F 0.14 C 0.13 Y 0.12 K 0.09 N 0.08 R 0.01 I 0.01 C Shift Assignments>> C :: 177.914 CA :: 55.463 CB :: 40.577 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.681 HA :: 4.504 HB2 :: 2.892 HB3 :: 2.695 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.321 Ave N Shift Values>> N :: 120.73(4.2) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.79 T 0.2 C Shift Assignments>> C :: 172.528 CA :: 61.886 CB :: 65.395 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.496 HA :: 5.163 HB2 :: 4.118 HB3 :: 4.400 HG :: 6.358 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.146 Ave N Shift Values>> N :: 116.3(3.95) 1.L29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.97 G 0.01 C Shift Assignments>> C :: 176.261 CA :: 54.091 CB :: 49.312(S) CG :: 28.301 CD1 :: 25.695 CD2 :: 26.329 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.482 HA :: 6.110(S) HB2 :: 1.768 HB3 :: 1.482 HG :: 1.520 HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 HD21 :: 0.722 HD22 :: 0.722 HD23 :: 0.722 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.721 Ave N Shift Values>> N :: 121.98(4.07) 1.A30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.37 L 0.27 C 0.17 K 0.08 R 0.04 M 0.01 H 0.01 C Shift Assignments>> C :: 174.345 CA :: 50.931 CB :: 24.920 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.699 HA :: 5.828(S) HB1 :: 1.375 HB2 :: 1.375 HB3 :: 1.375 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.937 Ave N Shift Values>> N :: 123.23(3.7) 1.H31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 H 0.31 W 0.13 Y 0.01 C Shift Assignments>> C :: 172.741 CA :: 56.225 CB :: 31.832 CD2 :: 115.736 CE1 :: 132.567 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.924 HA :: 4.605 HB2 :: 2.849 HB3 :: 2.847 HD1 :: 8.420 HD2 :: 5.570 HE1 :: 7.022 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 111.384 ND1 :: 163.811 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.14 R 0.13 H 0.09 Q 0.07 K 0.06 V 0.05 I 0.05 M 0.05 C Shift Assignments>> C :: 175.672 CA :: 59.023 CB :: 30.622 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.348 HA :: 5.268 HB2 :: 3.126 HB3 :: 3.045 HG :: 1.475 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.585 Ave N Shift Values>> N :: 119.95(4.79) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.4 I 0.06 C Shift Assignments>> C :: 173.366 CA :: 61.571 CB :: 43.555 CG1 :: 26.921 CG2 :: 20.227 CD1 :: 16.728 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.400 HA :: 4.779 HB :: 2.188 HG12 :: 0.476 HG13 :: 1.273 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 HD11 :: 0.988 HD12 :: 0.988 HD13 :: 0.988 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.070 Ave N Shift Values>> N :: 121.6(4.72) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 175.698 CA :: 56.182 CB :: 66.086 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.755 HA :: 5.034 HB2 :: 3.599 HB3 :: 3.258 HG :: 5.729 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.209 Ave N Shift Values>> N :: 116.3(3.95) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.32 E 0.24 M 0.02 C Shift Assignments>> C :: 177.709 CA :: 59.764 CB :: 30.556 CG :: 37.968 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.186 HA :: 3.755 HB2 :: 2.397 HB3 :: 2.182 HG2 :: 2.398 HG3 :: 2.506 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.588 Ave N Shift Values>> N :: 120.68(3.68) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.17 F 0.12 C 0.12 K 0.11 Y 0.11 N 0.07 R 0.02 I 0.01 C Shift Assignments>> C :: 176.046 CA :: 55.341 CB :: 40.780 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.445 HA :: 4.308 HB2 :: 2.689 HB3 :: 2.838 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 113.755 Ave N Shift Values>> N :: 120.73(4.2) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 P 0.2 C 0.13 R 0.06 K 0.04 W 0.03 V 0.01 L 0.01 Q 0.01 H 0.01 C Shift Assignments>> C :: 173.246 CA :: 61.589 CB :: 25.988 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.252 HA :: 3.771 HB2 :: 3.052 HB3 :: 2.787 HG :: 1.763 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 112.502 Ave N Shift Values>> N :: 119.95(4.79) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.36 K 0.14 G 0.06 C Shift Assignments>> CA :: 58.052 CB :: 30.885 CG :: 27.858 CD :: 43.360 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.763 HA :: 4.063 HB2 :: 1.690 HB3 :: 1.800 HG2 :: 1.501 HG3 :: 1.560 HD3 :: 3.163 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.645 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.42 M 0.36 A 0.16 V 0.03 C Shift Assignments>> C :: 175.041 CA :: 56.110 CG :: 33.451 CE :: 18.584 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.391 HB3 :: 1.793 HG2 :: 2.287 HG3 :: 2.611 HE1 :: 2.121 HE2 :: 2.121 HE3 :: 2.121 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.862 CA :: 45.814 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.076 HA2 :: 4.215 HA3 :: 3.619 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.424 Ave N Shift Values>> N :: 109.91(4.29) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 A 0.2 C 0.17 M 0.1 K 0.05 C Shift Assignments>> C :: 175.997 CA :: 51.387 CB :: 22.962 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.747 HA :: 4.631 HB1 :: 1.438 HB2 :: 1.438 HB3 :: 1.438 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.729 Ave N Shift Values>> N :: 123.23(3.7) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 176.463 CA :: 46.084 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.476 HA2 :: 3.941 HA3 :: 4.539 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.894 Ave N Shift Values>> N :: 109.91(4.29) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.727 CA :: 64.449 CB :: 38.874 CG1 :: 29.936 CG2 :: 16.044 CD1 :: 14.601 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 10.021 HA :: 4.197 HB :: 1.601 HG12 :: 1.775 HG13 :: 1.600 HG21 :: 1.097 HG22 :: 1.097 HG23 :: 1.097 HD11 :: -0.120 HD12 :: -0.120 HD13 :: -0.120 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.716 Ave N Shift Values>> N :: 121.6(4.72) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.26 I 0.06 C 0.03 V 0.01 C Shift Assignments>> C :: 179.659 CA :: 55.825 CB :: 18.309 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.369 HA :: 4.384 HB1 :: 1.810 HB2 :: 1.810 HB3 :: 1.810 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.338 Ave N Shift Values>> N :: 123.23(3.7) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.05 C Shift Assignments>> C :: 178.596 CA :: 66.081 CB :: 32.441 CG2 :: 22.363 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.382 HA :: 3.772 HB :: 1.992 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.319 Ave N Shift Values>> N :: 121.02(4.96) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.35 R 0.19 K 0.02 C Shift Assignments>> C :: 180.083 CA :: 57.842 CB :: 41.582 CG :: 28.044 CD1 :: 23.515 CD2 :: 26.006 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.412 HA :: 3.917 HB2 :: 0.784 HB3 :: 2.079 HG :: 1.745 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 HD21 :: 1.127 HD22 :: 1.127 HD23 :: 1.127 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.801 Ave N Shift Values>> N :: 121.98(4.07) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 Y 0.36 C 0.14 C Shift Assignments>> C :: 180.587 CA :: 63.231 CB :: 39.938 CD1 :: 131.791 CE1 :: 131.340 CZ :: 128.424 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.608 HA :: 3.960 HB2 :: 3.231 HB3 :: 2.832 HD1 :: 6.993 HD2 :: 6.993 HE1 :: 6.713 HE2 :: 6.713 HZ :: 6.710 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.240 Ave N Shift Values>> N :: 120.69(4.18) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.32 R 0.21 G 0.02 M 0.01 C Shift Assignments>> C :: 179.353 CA :: 61.416 CB :: 32.152 CG :: 25.410 CD :: 29.979 CE :: 42.261 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.028 HA :: 4.174 HB3 :: 2.293 HG3 :: 1.430 HD2 :: 1.958 HD3 :: 1.789 HE2 :: 3.052 HE3 :: 3.191 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.229 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.37 R 0.21 G 0.01 M 0.01 C Shift Assignments>> C :: 178.350 CA :: 59.789 CB :: 33.121 CG :: 25.460 CD :: 29.516 CE :: 42.244 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.192 HA :: 3.945 HB2 :: 1.810 HB3 :: 1.761 HG2 :: 1.561 HG3 :: 1.398 HD3 :: 1.616 HE3 :: 2.908 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.455 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.16 M 0.01 C Shift Assignments>> C :: 178.442 CA :: 59.006 CB :: 32.702 CG :: 25.314 CD :: 28.902 CE :: 41.863 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.931 HA :: 3.698 HB2 :: 0.411(S) HB3 :: 0.689(S) HG2 :: 0.619 HG3 :: 0.720 HD2 :: 0.473(S) HD3 :: 0.767(S) HE2 :: 2.025(S) HE3 :: 2.228(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.001 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.36 C 0.26 C Shift Assignments>> C :: 176.355 CA :: 57.129 CB :: 40.919 CD2 :: 131.952 CE2 :: 131.532 CZ :: 130.755 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.710 HA :: 5.055 HB2 :: 3.247 HB3 :: 3.066 HD1 :: 7.348 HD2 :: 7.348 HE1 :: 7.081 HE2 :: 7.081 HZ :: 7.080 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.021 Ave N Shift Values>> N :: 120.69(4.18) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.16 L 0.04 C Shift Assignments>> C :: 174.448 CA :: 46.894 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.865 HA2 :: 3.973 HA3 :: 3.973 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.573 Ave N Shift Values>> N :: 109.91(4.29) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.16 L 0.04 C Shift Assignments>> C :: 174.781 CA :: 46.894 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.598 HA2 :: 3.964 HA3 :: 4.061 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.038 Ave N Shift Values>> N :: 109.91(4.29) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 177.711 CA :: 68.358 CB :: 31.470 CG1 :: 23.477 CG2 :: 21.091 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.985 HA :: 3.354 HB :: 2.044 HG11 :: 1.012 HG12 :: 1.012 HG13 :: 1.012 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.068 Ave N Shift Values>> N :: 121.02(4.96) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.2 Q 0.2 E 0.16 I 0.06 R 0.04 M 0.01 C Shift Assignments>> C :: 178.133 CA :: 59.083 CB :: 28.388 CG :: 34.469 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.514 HA :: 3.976 HB2 :: 2.113 HB3 :: 2.073 HG3 :: 2.418 HE21 :: 7.005 HE22 :: 7.510 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.856 NE2 :: 114.764 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.34 E 0.25 K 0.01 M 0.01 HN Overlap>> 1.C23 1.C23 C Shift Assignments>> C :: 180.306 CA :: 59.987 CB :: 29.806 CG :: 37.508 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.508 HA :: 4.004 HB2 :: 2.223 HB3 :: 2.022 HG2 :: 2.281 HG3 :: 2.340 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.664 Ave N Shift Values>> N :: 120.68(3.68) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.34 R 0.06 G 0.05 C Shift Assignments>> C :: 180.924 CA :: 58.318 CB :: 42.792 CG :: 25.754 CD1 :: 26.006 CD2 :: 23.320 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.427 HA :: 3.867 HB2 :: 2.037 HB3 :: 1.062 HG :: 1.485 HD11 :: 0.100 HD12 :: 0.100 HD13 :: 0.100 HD21 :: -0.037 HD22 :: -0.037 HD23 :: -0.037 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.249 Ave N Shift Values>> N :: 121.98(4.07) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 L 0.37 R 0.2 G 0.03 C Shift Assignments>> C :: 181.388 CA :: 58.605 CB :: 42.509 CG :: 27.324 CD1 :: 23.185 CD2 :: 26.058 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.613 HA :: 3.999 HB2 :: 1.911 HB3 :: 1.437 HG :: 1.740 HD11 :: 0.915 HD12 :: 0.915 HD13 :: 0.915 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.380 Ave N Shift Values>> N :: 121.98(4.07) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.2 Y 0.15 D 0.13 F 0.12 E 0.04 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 176.896 CA :: 54.837 CB :: 38.485 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.319 HA :: 4.580 HB3 :: 2.954 HD21 :: 6.983 HD22 :: 7.672 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.937 ND2 :: 111.027 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.26 K 0.17 Q 0.14 I 0.08 M 0.02 R 0.01 C Shift Assignments>> C :: 175.969 CA :: 58.424 CB :: 28.853 CG :: 35.260 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.682 HA :: 4.188 HB2 :: 2.156 HB3 :: 2.290 HG2 :: 2.486 HG3 :: 2.976 HE21 :: 6.727 HE22 :: 7.716 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.330 NE2 :: 111.217 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.19 E 0.11 R 0.06 I 0.02 C Shift Assignments>> C :: 175.234 CA :: 57.035 CB :: 27.183 CG :: 34.470 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.814 HA :: 4.024 HB2 :: 2.103 HB3 :: 2.229 HG3 :: 2.351 HE21 :: 6.815 HE22 :: 7.464 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.180 NE2 :: 112.148 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.31 R 0.26 G 0.03 M 0.01 C Shift Assignments>> C :: 177.031 CA :: 54.640 CB :: 32.893 CG :: 24.467 CD :: 28.093 CE :: 42.800 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.094 HA :: 4.459 HB3 :: 1.936 HG2 :: 1.402 HG3 :: 1.368 HD2 :: 1.746 HD3 :: 1.607 HE2 :: 3.127 HE3 :: 3.331 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.637 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.3 R 0.19 G 0.03 M 0.01 C Shift Assignments>> C :: 175.196 CA :: 53.520 CB :: 36.025 CG :: 24.711 CD :: 29.198 CE :: 42.366 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.047 HA :: 4.518 HB2 :: 1.601 HB3 :: 1.836 HG3 :: 1.390 HD3 :: 1.613 HE3 :: 3.000 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.680 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 175.814 CA :: 61.317 CB :: 64.849 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.595 HA :: 3.923 HB2 :: 3.627 HB3 :: 3.358 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.018 Ave N Shift Values>> N :: 116.3(3.95) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 172.606 CA :: 45.428 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.347 HA2 :: 4.211 HA3 :: 4.167 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.182 Ave N Shift Values>> N :: 109.91(4.29) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 E 0.16 M 0.15 C Shift Assignments>> C :: 174.598 CA :: 54.089 CB :: 32.543 CG :: 37.721 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.945 HA :: 4.552 HB2 :: 2.578 HB3 :: 2.290 HG3 :: 2.038 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.357 Ave N Shift Values>> N :: 120.68(3.68) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.11 V 0.08 C Shift Assignments>> C :: 172.258 CA :: 59.523 CB :: 36.051 CG1 :: 20.454 CG2 :: 24.739 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.210 HA :: 5.199 HB :: 1.981 HG11 :: 0.818 HG12 :: 0.818 HG13 :: 0.818 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.614 Ave N Shift Values>> N :: 121.02(4.96) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.11 L 0.11 C 0.09 C Shift Assignments>> C :: 176.183 CA :: 50.774 CB :: 21.521 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.908 HA :: 4.902 HB1 :: 1.271 HB2 :: 1.271 HB3 :: 1.271 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.669 Ave N Shift Values>> N :: 123.23(3.7) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.27 I 0.08 M 0.03 C Shift Assignments>> C :: 176.374 CA :: 61.289 CB :: 36.513 CG2 :: 21.887 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.628 HA :: 5.283 HB :: 1.679 HG21 :: 0.522 HG22 :: 0.522 HG23 :: 0.522 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.386 Ave N Shift Values>> N :: 121.02(4.96) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 G 0.35 L 0.15 A 0.07 HN Overlap>> 1.T147 1.T147 C Shift Assignments>> C :: 174.905 CA :: 53.794 CB :: 46.822 CG :: 27.190 CD1 :: 23.220 CD2 :: 26.051 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.024 HA :: 4.820 HB2 :: 1.672 HB3 :: 1.261 HG :: 1.481 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.596 Ave N Shift Values>> N :: 121.98(4.07) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.25 M 0.03 G 0.01 C Shift Assignments>> C :: 177.570 CA :: 55.606 CB :: 34.039 CG :: 25.382 CD :: 29.818 CE :: 42.214 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.780 HA :: 4.793 HB2 :: 1.839 HB3 :: 1.533 HG2 :: 1.025 HG3 :: 0.529 HD3 :: 1.530 HE2 :: 2.551 HE3 :: 2.712 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.733 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.22 K 0.12 R 0.11 C Shift Assignments>> C :: 175.640 CA :: 53.190 CB :: 34.098 CD :: 43.486 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.744 HA :: 4.806 HB2 :: 1.781 HB3 :: 1.399 HG3 :: 1.309 HD2 :: 3.715 HD3 :: 3.470 HE :: 7.759 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 128.128 NE :: 85.172 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.17 K 0.13 F 0.12 C 0.12 Y 0.11 N 0.06 R 0.02 I 0.01 C Shift Assignments>> C :: 176.149 CA :: 55.463 CB :: 40.906 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.342 HA :: 4.289 HB2 :: 2.713 HB3 :: 2.879 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.965 Ave N Shift Values>> N :: 120.73(4.2) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 172.739 CA :: 46.119 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.677 HA2 :: 4.088 HA3 :: 3.543 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.367 Ave N Shift Values>> N :: 109.91(4.29) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 G 0.35 R 0.2 K 0.06 HN Overlap>> 1.K97 1.K97 C Shift Assignments>> C :: 173.147 CA :: 52.873 CB :: 32.497 CG :: 25.631 CD :: 44.070 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.803 HA :: 4.582 HB3 :: 1.846 HG2 :: 1.567 HG3 :: 1.766 HD2 :: 3.027 HD3 :: 3.027 HE :: 6.555 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.157 NE :: 86.373 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.43 C Shift Assignments>> C :: 173.565 CA :: 58.591 CB :: 40.836 CD1 :: 134.121 CE1 :: 117.548 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.382 HA :: 5.030 HB2 :: 2.637 HB3 :: 2.003 HD1 :: 7.008 HD2 :: 7.008 HE1 :: 6.845 HE2 :: 6.845 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.108 Ave N Shift Values>> N :: 120.79(4.69) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 174.268 CA :: 59.766 CB :: 37.904 CG1 :: 27.611 CG2 :: 19.133 CD1 :: 12.378 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.963 HA :: 4.350 HB :: 1.968 HG12 :: 0.470 HG13 :: 0.763 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 HD11 :: 0.053 HD12 :: 0.053 HD13 :: 0.053 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.133 Ave N Shift Values>> N :: 121.6(4.72) 1.Y78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.3 C 0.26 C Shift Assignments>> C :: 174.326 CA :: 60.076 CB :: 40.247 CD2 :: 133.198 CE2 :: 117.503 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.527 HA :: 4.667 HB2 :: 3.094 HB3 :: 2.677 HD1 :: 6.883 HD2 :: 6.883 HE1 :: 6.297 HE2 :: 6.297 HH :: 11.321 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.785 Ave N Shift Values>> N :: 120.79(4.69) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 Y 0.23 H 0.03 F 0.02 W 0.02 C Shift Assignments>> C :: 174.388 CA :: 55.834 CB :: 36.037 CD2 :: 134.274 CE2 :: 119.531 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.182 HA :: 4.147 HB2 :: 3.000 HB3 :: 2.276 HD1 :: 7.122 HD2 :: 7.122 HE1 :: 6.745 HE2 :: 6.745 HH :: 9.993 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.693 Ave N Shift Values>> N :: 120.79(4.69) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.38 R 0.07 K 0.02 C Shift Assignments>> C :: 175.215 CA :: 55.723 CB :: 41.163 CG :: 27.026 CD1 :: 24.387 CD2 :: 26.977 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.048 HA :: 4.121 HB2 :: 1.977 HB3 :: 1.272 HG :: 1.638 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 HD21 :: 0.706 HD22 :: 0.706 HD23 :: 0.706 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.890 Ave N Shift Values>> N :: 121.98(4.07) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.28 V 0.01 C Shift Assignments>> C :: 177.012 CA :: 59.718 CB :: 34.768 CG1 :: 26.620 CG2 :: 19.503 CD1 :: 12.828 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.145 HA :: 4.503 HB :: 2.047 HG12 :: 1.338 HG13 :: 1.018 HG21 :: 0.562 HG22 :: 0.562 HG23 :: 0.562 HD11 :: 0.516 HD12 :: 0.516 HD13 :: 0.516 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.272 Ave N Shift Values>> N :: 121.6(4.72) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 173.553 CA :: 62.584 CB :: 69.702 CG2 :: 23.839 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.473 HA :: 4.251 HB :: 4.437 HG1 :: 5.069 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.804 Ave N Shift Values>> N :: 115.7(5.05) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.33 R 0.12 Q 0.11 M 0.04 C Shift Assignments>> C :: 175.292 CA :: 55.546 CB :: 33.138 CG :: 25.503 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.612 HA :: 4.695 HB3 :: 1.882 HG2 :: 1.388 HG3 :: 1.581 HE3 :: 2.906 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.902 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.37 R 0.16 M 0.01 C Shift Assignments>> C :: 176.026 CA :: 60.435 CB :: 34.004 CG :: 25.358 CD :: 29.890 CE :: 41.736 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.348 HA :: 3.907 HB3 :: 1.897 HG2 :: 1.565 HG3 :: 1.428 HD3 :: 1.768 HE3 :: 3.054 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.963 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.3 K 0.17 G 0.11 C Shift Assignments>> C :: 177.611 CA :: 53.432 CB :: 33.183 CG :: 27.236 CD :: 43.260 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.809 HA :: 4.761 HB2 :: 1.703 HB3 :: 0.480(S) HG2 :: 1.366 HG3 :: 1.209 HD2 :: 3.154 HD3 :: 3.114 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 112.136 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.28 C 0.06 V 0.03 I 0.02 L 0.02 T 0.01 C Shift Assignments>> C :: 177.818 CA :: 55.786 CB :: 19.601 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.047 HA :: 3.985 HB1 :: 1.522 HB2 :: 1.522 HB3 :: 1.522 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.447 Ave N Shift Values>> N :: 123.23(3.7) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.524 CA :: 58.619 CB :: 63.673 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.500 HA :: 4.413 HB2 :: 4.137 HB3 :: 3.872 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 107.120 Ave N Shift Values>> N :: 116.3(3.95) 1.H88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 H 0.29 W 0.08 C Shift Assignments>> C :: 174.692 CA :: 54.978 CB :: 33.260 CD2 :: 116.435 CE1 :: 138.792 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.656 HA :: 4.862 HB3 :: 3.259 HD2 :: 6.931 HE1 :: 7.825 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.255 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 M 0.23 K 0.13 Q 0.11 H 0.08 R 0.06 W 0.05 E 0.02 P 0.01 HN Overlap>> 1.I135 1.I135 C Shift Assignments>> C :: 175.201 CA :: 53.065 CB :: 32.944 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.583 HA :: 4.737 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.511 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.691 CA :: 62.734 CB :: 33.127 CG :: 26.977 CD :: 50.283 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.731 HB2 :: 1.945 HB3 :: 2.316 HG2 :: 1.916 HG3 :: 2.275 HD2 :: 3.472 HD3 :: 3.857 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.3 C Shift Assignments>> C :: 175.822 CA :: 58.989 CB :: 71.370 CG2 :: 22.231 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.010 HA :: 4.774 HB :: 4.807 HG1 :: 5.344 HG21 :: 1.344 HG22 :: 1.344 HG23 :: 1.344 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.697 Ave N Shift Values>> N :: 115.7(5.05) 1.Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Y 0.38 F 0.2 C Shift Assignments>> C :: 178.229 CA :: 63.673 CB :: 37.694 CD2 :: 133.147 CE2 :: 119.150 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.769 HA :: 4.082 HB2 :: 2.870 HB3 :: 3.123 HD1 :: 7.266 HD2 :: 7.266 HE1 :: 6.894 HE2 :: 6.894 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.129 Ave N Shift Values>> N :: 120.79(4.69) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.32 E 0.23 K 0.02 C Shift Assignments>> C :: 179.080 CA :: 60.639 CB :: 29.557 CG :: 37.126 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.854 HA :: 4.131 HB2 :: 1.922 HB3 :: 2.138 HG3 :: 2.333 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.436 Ave N Shift Values>> N :: 120.68(3.68) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.2 F 0.14 N 0.14 E 0.09 D 0.08 I 0.03 L 0.02 M 0.02 C Shift Assignments>> C :: 178.307 CA :: 55.848 CB :: 38.127 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.891 HA :: 4.733 HB2 :: 3.017 HB3 :: 2.393 HD21 :: 6.969 HD22 :: 8.217 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.554 ND2 :: 112.637 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.23 L 0.12 K 0.1 C Shift Assignments>> C :: 178.036 CA :: 58.771 CB :: 41.528 CG :: 27.948 CD1 :: 23.766 CD2 :: 27.948 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.001 HA :: 4.134 HB2 :: 2.126 HB3 :: 1.339 HG :: 1.628 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 HD21 :: 0.926 HD22 :: 0.926 HD23 :: 0.926 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.610 Ave N Shift Values>> N :: 121.98(4.07) 1.Q96 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 P 0.28 K 0.11 Q 0.09 R 0.07 I 0.07 E 0.03 C Shift Assignments>> C :: 178.171 CA :: 61.427(A) CB :: 27.744 CG :: 33.455 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.811 HA :: 3.746 HB2 :: 2.158 HB3 :: 2.496 HG2 :: 2.097 HG3 :: 2.348 HE21 :: 6.686 HE22 :: 7.448 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.377 NE2 :: 110.961 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.34 K 0.21 G 0.03 HN Overlap>> 1.R75 1.R75 C Shift Assignments>> C :: 179.878 CA :: 60.612 CB :: 33.397 CG :: 26.439 CD :: 29.905 CE :: 42.557 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.781 HA :: 4.035 HB2 :: 1.956 HB3 :: 2.317 HG2 :: 1.808 HG3 :: 1.577 HD3 :: 1.792 HE3 :: 3.028 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.053 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 174.657 CA :: 63.966 CB :: 63.148 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.283 HA :: 3.733 HB3 :: 3.753 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.524 Ave N Shift Values>> N :: 116.3(3.95) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 L 0.3 R 0.22 G 0.11 C Shift Assignments>> C :: 179.099 CA :: 58.716 CB :: 43.432 CG :: 26.653 CD1 :: 27.271 CD2 :: 23.740 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.467 HA :: 3.865 HB2 :: 1.141 HB3 :: 2.299 HG :: 1.925 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.655 Ave N Shift Values>> N :: 121.98(4.07) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.27 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.273 CA :: 59.789 CB :: 29.515 CG :: 36.673 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.430 HA :: 3.634 HB2 :: 2.013 HB3 :: 2.231 HG2 :: 2.245 HG3 :: 2.451 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.163 Ave N Shift Values>> N :: 120.68(3.68) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.29 I 0.05 C 0.03 C Shift Assignments>> C :: 181.205 CA :: 55.518 CB :: 18.021 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.283 HA :: 4.267 HB1 :: 1.682 HB2 :: 1.682 HB3 :: 1.682 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.560 Ave N Shift Values>> N :: 123.23(3.7) 1.M102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.66 M 0.25 I 0.07 C Shift Assignments>> C :: 176.779 CA :: 60.077 CB :: 33.127 CG :: 29.897 CE :: 16.966 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.472 HA :: 3.739 HB2 :: 2.460 HB3 :: 1.574 HG2 :: 1.781 HG3 :: 0.802(S) HE1 :: 1.796 HE2 :: 1.796 HE3 :: 1.796 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.277 Ave N Shift Values>> N :: 120.1(3.88) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.28 R 0.22 M 0.02 G 0.02 C Shift Assignments>> C :: 177.570 CA :: 60.741 CB :: 30.888 CG :: 23.654 CD :: 29.600 CE :: 42.214 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.678 HA :: 3.622 HB2 :: 0.983 HB3 :: 1.687 HG2 :: 0.913 HG3 :: 1.005 HD2 :: 1.213 HD3 :: 1.381 HE2 :: 2.712 HE3 :: 2.740 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.198 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.722 CA :: 62.016 CB :: 62.789 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.066 HA :: 4.089 HB3 :: 4.019 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.409 Ave N Shift Values>> N :: 116.3(3.95) 1.H105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.43 C 0.39 H 0.16 C Shift Assignments>> C :: 179.260 CA :: 62.641 CB :: 30.921 CD2 :: 118.736 CE1 :: 138.065 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.659 HA :: 4.023 HB2 :: 3.178 HB3 :: 3.370 HD2 :: 7.168 HE1 :: 5.757(S) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.929 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C106 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.44 P 0.4 C 0.06 V 0.04 W 0.02 C Shift Assignments>> C :: 178.345 CA :: 64.148 CB :: 28.223 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.269 HA :: 4.123 HB2 :: 2.963 HB3 :: 3.479 HG :: 2.236(A) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.503 Ave N Shift Values>> N :: 119.95(4.79) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.33 R 0.15 G 0.01 C Shift Assignments>> C :: 180.715 CA :: 57.673 CB :: 42.243 CG :: 26.977 CD1 :: 26.422 CD2 :: 23.166 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.315 HA :: 4.259 HB2 :: 1.528 HB3 :: 1.912 HG :: 1.918 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 HD21 :: 1.002 HD22 :: 1.002 HD23 :: 1.002 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.268 Ave N Shift Values>> N :: 121.98(4.07) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.2 M 0.01 C Shift Assignments>> C :: 177.650 CA :: 58.626 CB :: 33.488 CG :: 25.408 CD :: 29.198 CE :: 42.077 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.672 HA :: 4.156 HB3 :: 1.757 HG2 :: 1.504 HG3 :: 1.398 HD2 :: 1.775 HD3 :: 1.639 HE3 :: 3.007 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.795 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.17 C 0.13 L 0.13 F 0.1 Y 0.1 K 0.04 C Shift Assignments>> C :: 174.611 CA :: 54.388 CB :: 40.247 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.648 HA :: 4.836 HB2 :: 2.083 HB3 :: 2.831 HD21 :: 6.313 HD22 :: 6.708 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.384 ND2 :: 115.337 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.25 P 0.04 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 176.549 CA :: 47.553 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.665 HA3 :: 4.036 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.296 Ave N Shift Values>> N :: 109.91(4.29) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 176.142 CA :: 64.145 CB :: 32.958 CG1 :: 22.247 CG2 :: 22.430 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.475 HA :: 4.071 HB :: 2.074 HG11 :: 1.276 HG12 :: 1.276 HG13 :: 1.276 HG21 :: 1.419 HG22 :: 1.419 HG23 :: 1.419 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.783 Ave N Shift Values>> N :: 121.02(4.96) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.997 CA :: 62.371 CB :: 70.885 CG2 :: 21.230 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.972 HA :: 4.539 HB :: 4.515 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.683 Ave N Shift Values>> N :: 115.7(5.05) 1.D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.25 G 0.13 C 0.12 D 0.07 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.606 CA :: 54.904 CB :: 43.842 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.153 HA :: 5.460 HB2 :: 2.508 HB3 :: 2.627 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.248 Ave N Shift Values>> N :: 120.73(4.2) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 G 0.21 L 0.15 C Shift Assignments>> C :: 176.044 CA :: 53.242 CB :: 47.673 CG :: 27.394 CD1 :: 25.697 CD2 :: 25.035 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.632 HA :: 5.054 HB2 :: 1.187 HB3 :: 1.270 HG :: 1.248 HD11 :: 0.656 HD12 :: 0.656 HD13 :: 0.656 HD21 :: 0.686 HD22 :: 0.686 HD23 :: 0.686 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.040 Ave N Shift Values>> N :: 121.98(4.07) 1.S115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.63 S 0.36 C Shift Assignments>> C :: 172.161 CA :: 58.781 CB :: 67.203 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.560 HA :: 6.126(S) HB2 :: 3.871 HB3 :: 3.819 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.095 Ave N Shift Values>> N :: 116.3(3.95) 1.M116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.37 A 0.21 C Shift Assignments>> C :: 173.044 CA :: 54.068 CB :: 35.135 CG :: 30.947 CE :: 16.318 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.990 HA :: 5.241 HB2 :: 2.397 HB3 :: 2.277 HG2 :: 2.421 HG3 :: 2.862 HE1 :: 1.688 HE2 :: 1.688 HE3 :: 1.688 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.280 Ave N Shift Values>> N :: 120.1(3.88) 1.P117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.55 P 0.41 G 0.03 C Shift Assignments>> C :: 172.741 CA :: 62.676 CB :: 33.775 CG :: 25.682 CD :: 48.689 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.749(S) HB2 :: 2.506 HB3 :: 1.435 HG2 :: 2.002 HG3 :: 1.749 HD2 :: 3.692 HD3 :: 4.195 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 R 0.25 L 0.18 G 0.15 K 0.04 C Shift Assignments>> C :: 175.917 CA :: 56.204 CB :: 27.607 CG :: 28.173 CD :: 43.769 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.618 HA :: 4.036 HB2 :: 1.229 HB3 :: 1.636 HG2 :: 1.049 HG3 :: -0.121(S) HD2 :: 2.715 HD3 :: 2.334(S) HE :: 6.937 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.842 NE :: 85.462 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.36 C Shift Assignments>> C :: 174.731 CA :: 63.555 CB :: 40.310 CG1 :: 24.711 CG2 :: 21.046 CD1 :: 16.000 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.005 HA :: 3.755 HB :: 1.913 HG12 :: 1.430 HG13 :: 2.374 HG21 :: 1.224 HG22 :: 1.224 HG23 :: 1.224 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.240 Ave N Shift Values>> N :: 121.6(4.72) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 174.403 CA :: 46.317 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.747 HA2 :: 4.082 HA3 :: 3.753 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.068 Ave N Shift Values>> N :: 109.91(4.29) 1.C121 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.22 W 0.15 C 0.15 E 0.1 K 0.08 Q 0.07 R 0.06 H 0.06 V 0.03 P 0.01 M 0.01 C Shift Assignments>> C :: 175.844 CA :: 60.318 CB :: 28.919 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.479 HA :: 4.838 HB2 :: 2.872 HB3 :: 3.219 HG :: 3.416(A) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 113.497 Ave N Shift Values>> N :: 119.95(4.79) 1.G122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 175.944 CA :: 45.104 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.764 HA2 :: 4.543 HA3 :: 4.346 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.169 Ave N Shift Values>> N :: 109.91(4.29) 1.L123 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> C 0.43 L 0.41 R 0.13 K 0.01 C Shift Assignments>> C :: 179.368 CA :: 58.063 CB :: 41.241 CG :: 27.850 CD1 :: 26.231 CD2 :: 22.769 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 10.702(S) HA :: 4.099 HB2 :: 2.262 HB3 :: 1.424 HG :: 2.087 HD11 :: 1.127 HD12 :: 1.127 HD13 :: 1.127 HD21 :: 0.995 HD22 :: 0.995 HD23 :: 0.995 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 136.737(A) Ave N Shift Values>> N :: 121.98(4.07) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.17 K 0.13 F 0.12 C 0.12 Y 0.11 N 0.06 R 0.02 I 0.01 C Shift Assignments>> C :: 176.877 CA :: 55.463 CB :: 40.896 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.600 HA :: 5.116 HB2 :: 2.714 HB3 :: 2.654 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.543 Ave N Shift Values>> N :: 120.73(4.2) 1.R125 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.35 R 0.33 G 0.16 L 0.11 K 0.04 C Shift Assignments>> C :: 176.065 CA :: 58.329 CB :: 28.272 CG :: 27.300 CD :: 43.861 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.390 HA :: 3.861 HB2 :: 2.218 HB3 :: 1.927 HG3 :: 1.739 HD2 :: 3.273 HD3 :: 3.296 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 107.033(S) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 C 0.46 L 0.05 C Shift Assignments>> C :: 175.427 CA :: 55.090 CB :: 40.250 CG :: 26.230 CD1 :: 19.978 CD2 :: 26.006 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.099 HA :: 4.499 HB2 :: 1.892 HB3 :: 1.213 HG :: 1.643 HD11 :: 0.231 HD12 :: 0.231 HD13 :: 0.231 HD21 :: 0.474 HD22 :: 0.474 HD23 :: 0.474 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.893 Ave N Shift Values>> N :: 121.98(4.07) 1.Q127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.22 M 0.2 E 0.17 K 0.12 C Shift Assignments>> C :: 177.920 CA :: 55.002 CB :: 30.603 CG :: 34.473 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.650 HA :: 4.842 HB2 :: 2.202 HB3 :: 2.373 HG3 :: 2.581 HE21 :: 6.967 HE22 :: 7.726 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.646 NE2 :: 113.016 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.39 H 0.02 C Shift Assignments>> C :: 177.562 CA :: 60.801 CB :: 30.214 CD1 :: 127.762 CE3 :: 122.727 CZ2 :: 114.585 CZ3 :: 122.727 CH2 :: 124.799 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.852 HA :: 4.780 HB2 :: 3.254 HB3 :: 3.596 HD1 :: 7.219 HE1 :: 10.323 HE3 :: 8.357 HZ2 :: 7.639 HZ3 :: 7.281 HH2 :: 7.020 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 129.995 NE1 :: 128.231 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 C 0.3 E 0.19 K 0.02 C Shift Assignments>> C :: 177.913 CA :: 61.025 CB :: 29.060 CG :: 36.977 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 10.019 HA :: 3.811 HB3 :: 1.992 HG2 :: 2.351 HG3 :: 2.415 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.727 Ave N Shift Values>> N :: 120.68(3.68) 1.N130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 Y 0.18 N 0.17 F 0.15 D 0.15 L 0.05 E 0.02 I 0.02 C Shift Assignments>> C :: 177.364 CA :: 55.463 CB :: 38.969 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.159 HA :: 4.486 HB2 :: 2.372 HB3 :: 2.964 HD21 :: 6.674 HD22 :: 6.862 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.063 ND2 :: 110.453 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.286 CA :: 67.739 CB :: 32.186 CG1 :: 24.487 CG2 :: 21.813 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.035 HA :: 3.525 HB :: 1.713 HG11 :: 1.098 HG12 :: 1.098 HG13 :: 1.098 HG21 :: 0.985 HG22 :: 0.985 HG23 :: 0.985 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.499 Ave N Shift Values>> N :: 121.02(4.96) 1.S132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.181 CA :: 61.804 CB :: 61.658 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.520 HA :: 3.147 HB2 :: 3.410 HB3 :: 2.735(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.191 Ave N Shift Values>> N :: 116.3(3.95) 1.A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.36 I 0.03 C 0.03 C Shift Assignments>> C :: 180.172 CA :: 55.199 CB :: 18.327 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.470 HA :: 4.104 HB1 :: 1.427 HB2 :: 1.427 HB3 :: 1.427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.956 Ave N Shift Values>> N :: 123.23(3.7) 1.M134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.35 I 0.09 C Shift Assignments>> C :: 178.113 CA :: 59.533 CB :: 34.252 CG :: 30.928 CE :: 17.613 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.465 HA :: 4.143 HB2 :: 2.189 HB3 :: 2.309 HG2 :: 2.289 HG3 :: 2.595 HE1 :: 2.266 HE2 :: 2.266 HE3 :: 2.266 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.091 Ave N Shift Values>> N :: 120.1(3.88) 1.I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.09 V 0.01 HN Overlap>> 1.E9 1.K89 1.E9 1.K89 C Shift Assignments>> C :: 178.015 CA :: 67.057 CB :: 38.557 CG1 :: 30.795 CG2 :: 18.679 CD1 :: 15.744 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.525 HA :: 3.482 HB :: 1.896 HG12 :: 0.703 HG13 :: 1.887 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.470 Ave N Shift Values>> N :: 121.6(4.72) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.32 E 0.27 K 0.03 M 0.01 C Shift Assignments>> C :: 178.944 CA :: 60.339 CB :: 29.319 CG :: 36.713 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.124 HA :: 3.879 HB3 :: 2.117 HG2 :: 2.237 HG3 :: 2.527 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.126 Ave N Shift Values>> N :: 120.68(3.68) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.2 K 0.04 M 0.04 Q 0.01 C Shift Assignments>> C :: 179.679 CA :: 59.731 CB :: 30.200 CG :: 36.427 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.878 HA :: 4.100 HB3 :: 2.139 HG2 :: 2.161 HG3 :: 2.360 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.624 Ave N Shift Values>> N :: 120.68(3.68) 1.V138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.881 CA :: 66.429 CB :: 32.340 CG1 :: 21.919 CG2 :: 23.521 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.752 HA :: 3.600 HB :: 1.985 HG11 :: 0.146 HG12 :: 0.146 HG13 :: 0.146 HG21 :: 1.097 HG22 :: 1.097 HG23 :: 1.097 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.898 Ave N Shift Values>> N :: 121.02(4.96) 1.F139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.35 C 0.27 C Shift Assignments>> C :: 175.417 CA :: 59.900 CB :: 38.400 CD1 :: 132.417 CE1 :: 129.812 CZ :: 129.201 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.072 HA :: 4.215 HB2 :: 2.701 HB3 :: 3.196 HD1 :: 7.624 HD2 :: 7.624 HE1 :: 6.954 HE2 :: 6.954 HZ :: 6.843 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.228 Ave N Shift Values>> N :: 120.69(4.18) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.16 K 0.07 Q 0.04 M 0.03 C Shift Assignments>> C :: 176.316 CA :: 59.347 CB :: 29.787 CG :: 36.064 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.372 HA :: 4.181 HB2 :: 2.094 HB3 :: 2.447 HG3 :: 2.395 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.329 Ave N Shift Values>> N :: 120.68(3.68) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.35 C 0.01 C Shift Assignments>> C :: 177.205 CA :: 53.253 CB :: 17.687 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.874 HA :: 4.365 HB1 :: 1.489 HB2 :: 1.489 HB3 :: 1.489 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.041 Ave N Shift Values>> N :: 123.23(3.7) 1.T142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.3 C Shift Assignments>> C :: 174.324 CA :: 61.474 CB :: 72.919 CG2 :: 22.312 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.780 HA :: 4.841 HB :: 4.432 HG1 :: 5.463 HG21 :: 1.245 HG22 :: 1.245 HG23 :: 1.245 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.928 Ave N Shift Values>> N :: 115.7(5.05) 1.D143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.16 N 0.15 C 0.11 F 0.08 K 0.08 Y 0.07 R 0.01 C Shift Assignments>> C :: 175.562 CA :: 53.927 CB :: 40.783 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.919 HA :: 4.960 HB2 :: 2.687 HB3 :: 2.895 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.188 Ave N Shift Values>> N :: 120.73(4.2) 1.I144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 175.408 CA :: 62.638 CB :: 39.324 CG1 :: 29.187 CG2 :: 17.200 CD1 :: 14.473 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.397 HA :: 4.009 HB :: 1.802 HG12 :: 1.353 HG13 :: 1.749 HG21 :: 0.500 HG22 :: 0.500 HG23 :: 0.500 HD11 :: 1.100 HD12 :: 1.100 HD13 :: 1.100 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.909 Ave N Shift Values>> N :: 121.6(4.72) 1.K145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.2 M 0.02 G 0.01 C Shift Assignments>> C :: 175.002 CA :: 56.573 CB :: 33.348 CG :: 25.035 CD :: 28.868 CE :: 42.492 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.699 HA :: 4.407 HB2 :: 1.984 HB3 :: 1.926 HG2 :: 1.522 HG3 :: 1.402 HD3 :: 1.734 HE3 :: 3.031 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 129.857 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> C :: 175.620 CA :: 59.986 CB :: 39.990 CG1 :: 28.515 CG2 :: 18.499 CD1 :: 12.958 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.940 HA :: 5.026 HB :: 1.522 HG12 :: 0.561 HG13 :: 1.031 HG21 :: 0.640 HG22 :: 0.640 HG23 :: 0.640 HD11 :: -0.175 HD12 :: -0.175 HD13 :: -0.175 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.495 Ave N Shift Values>> N :: 121.6(4.72) 1.T147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 173.475 CA :: 61.343 CB :: 69.413 CG2 :: 23.416 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.030 HA :: 5.084 HB :: 4.400 HG21 :: 0.687 HG22 :: 0.687 HG23 :: 0.687 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 126.533 Ave N Shift Values>> N :: 115.7(5.05) 1.V148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 175.840 CA :: 60.083 CB :: 33.219 CG1 :: 22.563 CG2 :: 20.950 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.778 HA :: 5.118 HB :: 1.526 HG11 :: 0.860 HG12 :: 0.860 HG13 :: 0.860 HG21 :: 0.503 HG22 :: 0.503 HG23 :: 0.503 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.455 Ave N Shift Values>> N :: 121.02(4.96) 1.Y149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 C 0.31 F 0.26 C Shift Assignments>> C :: 176.819 CA :: 57.426 CB :: 39.926 CD2 :: 133.344 CE2 :: 118.229 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.817 HA :: 5.317 HB2 :: 2.503 HB3 :: 3.341 HD1 :: 6.781 HD2 :: 6.781 HE1 :: 6.737 HE2 :: 6.737 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 130.342 Ave N Shift Values>> N :: 120.79(4.69) 1.T150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.567 CA :: 62.260 CB :: 71.285 CG2 :: 21.022 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.662 HA :: 4.546 HB :: 4.033 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.579 Ave N Shift Values>> N :: 115.7(5.05) 1.L151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.32 R 0.06 G 0.06 C Shift Assignments>> CA :: 57.308 CB :: 43.067 CG :: 26.910 CD1 :: 23.463 CD2 :: 24.476 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.480 HA :: 3.807 HB2 :: 0.958 HB3 :: 1.051 HG :: 0.757 HD11 :: 0.391 HD12 :: 0.391 HD13 :: 0.391 HD21 :: 0.265 HD22 :: 0.265 HD23 :: 0.265 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.874 Ave N Shift Values>> N :: 121.98(4.07) 2.APR1 Overall Status: Residue type APR not supported. ########################################################################### Overall Results: #Consistent: 134 #Clerical: 0 #Suspicious: 13 #Anomalous: 4 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 150 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 151 #Suspicious: 0 C Shift Results: #Consistent: 647 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent:1011 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 2 N Shift Results: #Consistent: 159 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: 1.V16 HB = 0.748(S), Expected = 1.99, Std = 0.3300, ChiSquare = 1.6746e-04 1.L20 H = 10.437(S), Expected = 8.22, Std = 0.6500, ChiSquare = 6.4780e-04 1.L29 CB = 49.312(S), Expected = 42.37, Std = 1.8600, ChiSquare = 1.8977e-04 1.L29 HA = 6.110(S), Expected = 4.32, Std = 0.4700, ChiSquare = 1.3981e-04 1.A30 HA = 5.828(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.8896e-04 1.K50 HB2 = 0.411(S), Expected = 1.79, Std = 0.2500, ChiSquare = 3.4680e-08 1.K50 HB3 = 0.689(S), Expected = 1.78, Std = 0.2600, ChiSquare = 2.7149e-05 1.K50 HD2 = 0.473(S), Expected = 1.61, Std = 0.2500, ChiSquare = 5.4158e-06 1.K50 HD3 = 0.767(S), Expected = 1.61, Std = 0.2500, ChiSquare = 7.4624e-04 1.K50 HE2 = 2.025(S), Expected = 2.93, Std = 0.2000, ChiSquare = 6.0396e-06 1.K50 HE3 = 2.228(S), Expected = 2.93, Std = 0.2000, ChiSquare = 4.4811e-04 1.R85 HB3 = 0.480(S), Expected = 1.78, Std = 0.2800, ChiSquare = 3.4362e-06 1.Q96 CA = 61.427(A), Expected = 56.62, Std = 2.1900, ChiSquare = 2.8165e-02 1.M102 HG3 = 0.802(S), Expected = 2.41, Std = 0.4000, ChiSquare = 5.8198e-05 1.H105 HE1 = 5.757(S), Expected = 8.08, Std = 0.5700, ChiSquare = 4.5928e-05 1.C106 HG = 2.236(A), Expected = 1.66, Std = 0.4800, ChiSquare = 2.3014e-01 1.S115 HA = 6.126(S), Expected = 4.51, Std = 0.4300, ChiSquare = 1.7118e-04 1.P117 HA = 5.749(S), Expected = 4.41, Std = 0.3600, ChiSquare = 1.9966e-04 1.R118 HG3 = -0.121(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.9765e-10 1.R118 HD3 = 2.334(S), Expected = 3.13, Std = 0.2200, ChiSquare = 2.9668e-04 1.C121 HG = 3.416(A), Expected = 1.66, Std = 0.4800, ChiSquare = 2.5386e-04 1.L123 H = 10.702(S), Expected = 8.22, Std = 0.6500, ChiSquare = 1.3429e-04 1.L123 N = 136.737(A), Expected = 121.98, Std = 4.0700, ChiSquare = 2.8807e-04 1.R125 N = 107.033(S), Expected = 120.61, Std = 3.9000, ChiSquare = 4.9902e-04 1.S132 HB3 = 2.735(S), Expected = 3.87, Std = 0.3100, ChiSquare = 2.5095e-04